2-cyclopentylsulfanyl-1-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-cyclopentylsulfanyl-1-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-cyclopentylsulfanyl-1-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(cyclopentylthio)-1-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-cyclopentylsulfanyl-1-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(cyclopentylthio)-1-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CSC4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C[C@H]2COC3=CC=CC=C3O2)C)C(=O)CSC4CCCC4

InChI

InChI=1S/C22H27NO3S/c1-15-11-19(20(24)14-27-18-7-3-4-8-18)16(2)23(15)12-17-13-25-21-9-5-6-10-22(21)26-17/h5-6,9-11,17-18H,3-4,7-8,12-14H2,1-2H3/t17-/m0/s1